methyl octadecanoate

• ChemBase ID: 102318
• Molecular Formular: C19H38O2
• Molecular Mass: 298.50382
• Monoisotopic Mass: 298.28718046
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC
• InChI: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
• InChIKey: HPEUJPJOZXNMSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl octadecanoate
• IUPAC Traditional name: methyl stearate
• Synonyms: Methyl stearate; Methyl octadecanoate; STEARIC ACID METHYL ESTER; Methyl n-octadecanoate; Stearic acid methyl ester; Methyl stearate; METHYL OCTADECANOATE; 十八酸甲酯; 硬脂酸甲酯

Database IDs

• CAS Number: 112-61-8
• EC Number: 203-990-4
• MDL Number: MFCD00009005
• Beilstein Number: 1786213
• Merck Index: 148804
• PubChem SID: 24899648; 24888450; 24902019; 162088281
• PubChem CID: 8201
• Flavis Number: 9.651

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.291614
• LogD (pH = 7.4): 7.291614
• Log P: 7.291614
• Molar Refractivity: 91.0547 cm^3
• Polarizability: 36.50831 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 37-41 °C(lit.); 38-42°C; 40-42°C
• Boiling Point: 180-182/4mm; 181-182 °C/4 mmHg(lit.); 181-182°C
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Organoleptic: oily

Safety Information

• Storage Condition: 0°C
• RTECS: WI4460000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ~99%; ~99% (GC); ≥96%; ≥99.0% (GC); ≥99.5% (GC); 97%; 99%; 99.9%
• Grade: analytical standard; certified reference material; TraceCERT®
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)16CO2CH3

DETAILS

MP Biomedicals - 05214474

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101120

Purity: ~99%

Sigma Aldrich - S5376

包装
1, 5, 10, 50 g in poly bottle

Sigma Aldrich - W504807

Packaging
1 kg in poly bottle
5 kg in steel drum
1 sample in glass bottle
10 kg in poly drum

Sigma Aldrich - M80709

Packaging
100 g in glass bottle

Sigma Aldrich - 75533

General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
Legal Information
TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC